Search

In this study, a series of coumarin-BODIPY molecules were synthesized using a Sonogashira cross-linking reaction. The effects of electron withdrawing and electron donating moieties on electrochemical and optical properties were supported by results of density functional theory calculations, and energy transfer mechanisms were investigated. The band gap value decreased from 2.0 eV to 1.6 eV due to reversible oxidation of the extra dimethylamino subunit at lower potential. Besides, characteristics of the crystal structures were investigated with single-crystal X-ray diffraction, and crystallinity was supported by differential scanning calorimetry. In addition, when the thin film surface morphologies were examined, it was clearly observed that the N,N-dimethylamino group on the coumarin-BODIPY dyad (B3) formed large-scale domains due to its crystalline behavior. As a result, Förster-type energy transfer was observed for coumarin-BODIPY dyads containing different electron withdrawing and donating subunits.

Most of the studies on conventional fuel types that can be used in internal combustion engines have been made in order to improve performance values. Nowadays environmental problems have shown that emission values are more important and interest in low carbon alternative fuels has highly increased in recent years. In this study, performance and emission values of soybean biodiesel (B25) fuel mixture used in diesel engine were investigated in detail by making different ratios of hydroxy (HHO) enrichment (3, 5 and 7 L/min). HHO enrichments increased brake torque and power outputs with direct correlation to flow rate amount; at the same time brake specific fuel consumption has decreased. Also, one of the main objectives of this study is to predict the optimum hydrogen requirement against performance reductions and NOx formations among test fuels (3, 5, and 7 L/min HHO enriched B25), too by using artificial intelligence. For developing the ANN structure, Levenberg-Marquardt (LM) learning algorithm was used to adjust the weights in the cascade forward network. The results show that the ANN model has 95,82%, 96,07%, and 92,35% estimation accuracies for motor torque, motor power, and NOx emission, respectively. (C) 2020 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

In present work, a new Schiff base compound, (E)-3-(((2-methoxy-5-(trifluoromethyl)phenyl)imino)methyl)benzene-1,2-diol was synthesized and characterized by X-ray diffraction and spectroscopic methods (FT-IR, UV–Vis) and quantum mechanical calculation methods. The obtained structure is monoclinic, space group P21/c, with unit cell parameters a = 15.1881(10) A, b = 14.5816(11) A, c = 6.2023(5) A, β = 98.008 (6)°, and Z = 4. Theoretical calculations were used to investigate the optimized molecular geometry of the title compound. The calculated and experimental results show the title compound tends to the keto-amine form. Besides, the frontier molecular orbital, non-linear optical properties and electronic structure parameters of the title compound were computed in the solvent media using the theoretical methods. The molecular electrostatic potential surface was obtained at the optimized geometry to predict reactive sites for nucleophilic and electrophilic attack for the studied molecule. Statistical thermodynamic functions for the title compound were calculated at 298.15 K temperature and 1 atm pressure by using the HF and DFT/B3LYP methods with the 6-311++G(d,p) basis set.

Purpose To investigate the histological efficacy of ranibizumab and zoledronic acid in an experimentally induced endometriosis model as compared with danazol, buserelin acetate and dienogest. Methods Endometrial implants were introduced in 52 female Wistar albino rats, which were then randomly divided into six groups. The animals were, respectively, given dienogest, danazol, buserelin acetate, zoledronic acid, ranibizumab and 0.9% NaCl. After 4 weeks, the volumes and histopathological properties of the implants were evaluated and the implants were excised completely at the third laparotomy. A histopathological scoring system was used to evaluate the preservation of epithelia. Endometrial explants were evaluated immunohistochemically. Results Among the groups, the histological score was significantly lower in the zoledronic acid and ranibizumab groups compared with the controls (p < 0.001). There were no significant differences regarding ellipsoidal volume levels between groups (p > 0.05). However, there was a statistically significant difference regarding cell numbers according to the degree of Bcl-2, NF-kappa B, and CD31 staining (p < 0.001). There was no statistically significant difference in Bcl-2, CD31, or NF-kappa B staining in the binary comparisons between the other groups (p > 0.05). For Bcl-2 staining, the staining rate of the group treated with zoledronic acid was significantly lower compared with the dienogest and danazol groups (p < 0.05). The staining rates of CD31 and NF-kappa B were significantly lower in the zoledronic acid and ranibizumab groups compared with the controls (p < 0.05). Conclusion According to these results, zoledronic acid and ranibizumab may be putative candidates for the treatment of endometriosis., Technological and Scientific Research Council of Turkey (TUBITAK) [213S002], This study was funded by The Technological and Scientific Research Council of Turkey (TUBITAK) (213S002).

Salt formations exist in Kızılırmak Graben (Central Anatolia, Turkey), which consists of volcano-sedimentary units, and it was stated in previous studies that these formations have a diapiric structure. The adjacent basin, Ayhan Basin, contains bituminous shale and operated coal deposits. For this reason, in this study, it is aimed to investigate the oil and gas potential of the Kızılırmak Graben by conducting TPH (Total Petroleum Hydrocarbons) analysis on the samples taken from natural cold-water resources by making use of the thought that hydrocarbon generation may come into existence from those units in the Ayhan basin. As a consequence of the analyses performed, hydrocarbons have been brought into the open in all the water samples. The organic geochemical methods have been used to find out the source of hydrocarbons determined in the water resources. The disclosed n-alkane hydrocarbons are the mature petroleum hydrocarbons derived from peat/coal type organic matter (Type III kerogen, gas-prone). These mature hydrocarbon-rich waters can be regarded as evidence for the availability of a working hydrocarbon system associated with possible salt diapir identified by using gravity and magnetic data obtained from the investigation area.

The aim of this study is to determine the protective and therapeutic properties of bee venom components Apamin, Melittin and Phospholipase A2 against UV damage on the human keratinocyte cell line. Cosmetic and therapeutic effects of bee venom have been reported in previous studies, but it is not known which components of the venom have the most effect. For this purpose, firstly, an in vitro UV damage model was designed. Components of bee venom were tested at a different concentration. Cell viability, cytotoxicity and apoptotic processes were analyzed on the designed model. As a result, it has been observed that Apamin demonstrated a significant protective effect against UV-induced cell death at all concentrations. Photoprotective effects of Melittin were observed in all concentration time periods and its photoprotective effects were increased as the concentration increased. Our results were indicated that Phospholipase A2 could be used as a photoprotective and phototherapy agent. This study is the first to show the protective and therapeutic properties of bee venom components against UV damage. As a result, it has been shown that these components can be successful photoprotective and phototherapeutic agents against UV-induced damage, but more detailed studies should be conducted to minimize their toxic effects on cells.

ACE2 receptor plays a vital role not only in the SARS-CoV-induced epidemic but also in some diseases. Studies have been carried out on the interactions of ACE2- SARS-CoV proteins. However, comprehensive research has not been conducted on ACE2 protein by using bioinformatic tools. The present study especially two places, G104 and L108 points, which are effective in protecting the structure of the ACE2 protein, play a critical role in the biological functioning of this protein, and play an essential role in determining the chemical-physical properties of this protein, and play a crucial role for ACE2 protein-SARS CoV surface glycoprotein, were determined. It was also found that the G104 and L108 regions were more prone to possible mutations or deletions than the other ACE2 protein regions. Moreover, it was determined that all possible mutations or deletions in these regions affect the chemical-physical properties, biological functions, and structure of the ACE2 protein. Having a negative GRAVY value, one transmembrane helix, a significant molecular weight, a long-estimated half-life as well as most having unstable are results of G104 and L108 points mutations or deletions. Finally, it was determined that LQQNGSSVLS, which belongs to the ACE2 protein, may play an active role in binding the spike protein of SARS-CoV. All possible docking scores and results were estimated. Based on the docking score, MD results are taken and It is seen that mutation at G104 and L108 may affect the spike-ACE2 interaction. It is thought that this study will bring a different perspective to ACE2 _SARS-CoV interaction and other diseases in which ACE2 plays an important role and will also be an essential resource for studies on ACE2 protein.

New benzimidazolium salts were synthesized as N-heterocyclic carbene precursors. These NHC precursors were metallated with Cu2O and CuI in acetone and water under reflux to give novel copper(I) complexes. The structures of these benzimidazolium salts and copper(I) complexes were characterized on the basis of elemental analysis, 1H NMR, 13C NMR, IR and LC–MS spectroscopic techniques. The (NHC)Cu(I) complexes 3–4 were tested against MCF7 and MDA-MB-231 cancer cells, Escherichia coli, methicillin-resistant Staphylococcus aureus (MRSA) and Candida albicans microorganisms, Leishmania major promastigotes and amastigotes, Toxoplasma gondii parasites and against Vero cell line in vitro. The synthesized copper NHC carbene complex 4b (1,3-bis(2,3,4,5,6-pentamdthylbenzyl)-2,3-dihydro-1H-benzo[d]imidazol-2-yl)copper(I) chloride) was the most active against MCF7 cancer cells (half growth Inhibition Concentrations (IC50) = 0.3 µg mL−1), as well as the most potent antimicrobial against E. coli (inhibition zone (IZ) = 23.3 mm), MRSA (IZ = 25.5 mm) and C. albicans (IZ = 28.5 mm) besides its antileishmanial activities against L. major promastigotes and amastigotes (IC50 < 0.04 µg mL−1). Compound 4c (1,3-bis(4-(tert-butyl)benzyl)-2,3-dihydro-1H-benzo[d]imida-zol-2-yl)copper(II) bromide) is the most potent anticancer against MDA-MB-231 cancer cells IC50 = 0.4 µg mL−1). Compound 4e (5,6-dimethyl-1,3-bis(2,4,6-trimethylbenzyl)-2,3-dihydro-1H-benzo[d]imidazol-2-yl)copper(I) chloride) is the best suitable antitoxoplasmal drug candidate due to its SI of 16.5. These candidates need further study to identify mode of action and drug standardization.

The radioactivity levels in the soil samples from Bartin Province, Turkey were determined using a HPGe detector, and the hazard parameters were calculated. The mean concentration values were measured as 6 ± 2; 7 ± 3; 136 ± 15; 2 ± 1 and 8 ± 3 Bq kg−1, for 238U, 232Th, 40K, 137Cs and 226Ra, respectively. The average radium equivalent, absorbed gamma dose rate, annual effective dose equivalent, external hazard index and excess lifetime cancer risk were calculated as 26.74 Bq kg−1, 12 ± 3 nGy h−1, 15 ± 3 µSv y−1, 0.1 ± 0.02 and 0.053 ± 0.011, respectively. Amasra district exhibited the highest radiological hazard parameters which is attributed to the mining activities. All measured and calculated values were found to remain under the limit values.

Benzimidazole derivative molecules attract attention of scientists due to their bioactivities. The dramatic changes in recorded activities according to the type and position of the substituents motivate synthesis and analysis of new molecules. Commercial benzimidazole-based molecules have been used in therapeutic procedures. It is known that the activities of metal complexes with benzimidazole derivative ligands have different activities when compared to the benzimidazole main structure. Nowadays, one of the most important health problems is COVID-19, which caused the pandemic that we are still experiencing. Although vaccine studies are important to overcome acute problems, regarding the possible post-vaccination adverse effects, the need for new drugs against the virus is obvious. Considering the urgency and the limited facilities during the pandemic, preliminary in silico studies of candidate molecules are essential. In this study, {[bis-(N-benzylbenzimidazole)] tetracarbonylmolybdenum}, {[bis-(N-4-chlorobenzylbenzimidazole)] tetracarbonylmolybdenum} and {[bis-(N-4-methoxybenzylbenzimidazole)] tetracarbonylmolybdenum} were synthesized and characterized. The optimization and the structural analysis of these molecules were performed by DFT/TDDFT methods. The molecules were docked into SARS coronavirus main peptidase (PDB ID: 2gtb), COVID-19 main protease in complex with Z219104216 (PDB ID: 5r82), COVID-19 main protease in complex with an inhibitor N3 (PDB ID: 6lu7) and Papain-like protease of SARS-CoV-2 (PDB ID: 6w9c) crystal structures for evaluation of their anti-viral activity.

Two palladium complexes bearing different ligands such as N-heterocyclic carbene (NHC), pyridine and phosphines were synthesized and characterized by FT-IR spectroscopy, X-ray crystallography and q...

In this article, the direct N-alkylation reactions of amines with alcohol derivatives using the borrowing hydrogen methodology have been investigated. For this purpose, a new series of half-sandwich ruthenium(II) complexes bearing N-coordinated benzimidazole complexes have been synthesized and fully characterized by FT-IR, 1H NMR and 13C NMR spectroscopies. Additionally, the structures of the complexes 2a–2e have been characterized by X-ray crystallography. All new complexes were investigated for their catalytic activities in the alkylation reaction of amines with alcohol derivatives. It was found that alkylation reactions in a solvent-free medium are efficient and selective.

A new series of Pd-catalysts based on an N-heterocyclic carbene PEPPSI-type ligand (PEPPSI = pyridine enhanced precatalyst preparation stabilization and initiation) with the general formula [Pd(II)Br2(NHC)(pyridine)] was synthesized and fully characterized via spectroscopic analytical methods. Further, the structural characterization of 3a, 3b, and 3d was performed via single-crystal X-ray diffraction, which supported the proposed structures and offered a more detailed structural characterization. Additionally, the electronic, vibrational, thermodynamic, and optical properties of 3a, as a representative molecule, were confirmed utilizing density functional theory (DFT) calculations. The experimental molecular geometry of the ground state of complex 3a was compared with the minimized structure obtained from DFT calculations. The B3LYP functional in conjunction with the LANL2DZ basis set for the palladium atom and the 6-311G(d,p) basis set for the hydrogen, carbon, nitrogen, and bromine atoms were used for all calculations. The frontier molecular orbitals and molecular electrostatic potential were also analyzed and discussed. Due to the significant interest in halo-substituted arylated heteroarenes in organic chemistry, the catalytic activity of these Pd(II)–NHC PEPPSI–type complexes were evaluated via the direct arylation of five-membered heteroaromatics such as thiophene, furan, and thiazole derivatives with various (hetero)aryl bromides in the presence of 1 mol% catalyst. The results showed that all new Pd–NHC complexes are effective catalysts, which exhibited very good catalytic activity and gave C-H activation selectively at the C(5)-position of 2-acetyl furan and 2-acetyl thiophene.

© 2021 Hydrogen Energy Publications LLCIn the presented paper, energy and exergy analysis is performed for thermochemical hydrogen (H2) production facility based on solar power. Thermal power used in thermochemical cycles and electricity production is obtained from concentrated solar power systems. In order to investigate the effect of thermochemical cycles on hydrogen production, three different cycles which are low temperature Mg–Cl, H2SO4 and UT-3 cycles are compared. Reheat-regenerative Rankine and recompression S–CO2 Brayton power cycles are considered to supply electricity needed in the Mg–Cl and H2SO4 thermochemical cycles. Furthermore, the effects of instant solar radiation and concentration ratio on the system performance are investigated. The integration of S–CO2 Brayton power cycle instead of reheat-regenerative Rankine enhances the system performance. The maximum exergy efficiency which is obtained in the system with Mg–Cl thermochemical and recompression S–CO2 Brayton power cycles is 27%. Although the energy and exergy efficiencies decrease with the increase of the solar radiation, they increase with the increase of the concentration ratio. The highest exergy destruction occurred in the solar energy unit.

Objectives: The aim of this study was to determine the influence of vehicles and penetration enhancers on the penetration and permeation of cinnarizine (CNZ) through the skin. Materials and Methods: Topical formulations based on hydrogel, o/w emulsion and oleaginous cream were prepared. After determination of physical properties of formulations, the penetration and permeation of CNZ through the stratum corneum and full-thickness skin was investigated by an ex vivo study. Results: The cumulative amount of CNZ permeated from the base hydrogel formulation was about 5 times higher than the base o/w emulsion and base oleaginous cream formulations. The incorporation of penetration enhancers to the base hydrogel and o/w emulsion formulations generally increased CNZ penetration through the skin. Transcutol® was confirmed to provide the highest penetration in the hydrogel formulation. Propylene glycol was found to be the most suitable penetration enhancer for CNZ in the oleaginous cream. Glycerol and oleic acid displayed the highest effect in the o/w emulsion. Conclusion: It was concluded that the hydrogel containing Transcutol® provided the highest penetration through the skin among all formulations and this formulation could be an alternative to the oral route in the treatment of Ménière’s disease and motion sickness. Thus, the risk of systemic side effects caused by oral medication can be reduced or eliminated. Amaç: Bu çalışmanın amacı taşıyıcıların ve penetrasyon artırıcıların sinarizinin (CNZ) deriden penetrasyonu ve permeasyonu üzerindeki etkisini tayin etmektir. Gereç ve Yöntemler: Hidrojel, y/s emülsiyonu ve yağlı krem bazlı topikal formülasyonlar hazırlandı. Formülasyonların fiziksel özelliklerinin tayininden sonra, CNZ’nin stratum corneum ve tam kalınlıkta deriye penetrasyon ve permeasyonu bir ex vivo çalışma ile incelendi. Bulgular: Baz hidrojel formülasyonundan nüfuz eden kümülatif CNZ’nin miktarı, baz y/s emülsiyonu ve baz yağlı krem formülasyonlarından yaklaşık 5 kat daha yüksekti. Baz hidrojel ve y/s emülsiyon formülasyonlarına penetrasyon artırıcıların ilavesi, genellikle CNZ’nin deriden penetrasyonunu artırdı. Transcutol®’un hidrojel formülasyonunda en yüksek pentrasyonu sağladığı doğrulandı. CNZ için yağlı kremde en uygun penetrasyon artırıcı propilen glikol olarak bulundu. Gliserol ve oleik asit y/s emülsiyonunda en yüksek etkiyi gösterdi. Sonuç: Transcutol® içeren hidrojelin tüm formülasyonlar arasında deriden en yüksek CNZ geçişi sağladığı ve bu formülasyonun Meniere hastalığı ile hareket hastalığının tedavisinde oral yola bir alternatif olabileceği sonucuna varıldı. Böylece ağızdan alınan ilacın neden olduğu sistemik yan etki riski azaltılabilir veya ortadan kaldırılabilir. WOS:000767290000003 2-s2.0-85125602876 PMID: 35227037

© 2021, The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.In this work, the separations and preconcentrations of Zn(II) and Hg(II) ions on Bacillus lichenifoemis loaded onto Amberlite XAD-4 resin by solid-phase extraction has been performed. The biosorbent was characterized by using FT-IR, SEM, and EDX. pH, sample flow rate, eluent type and concentration, amount of B. licheniformis and XAD-4 resin, sample volume, and possible interfering ions effect were investigated in details as experimental variables in the SPE procedure. Limit of detection values for Zn(II) and Hg(II) were detected as 0.03 and 0.06 ng mL−1, respectively. 0.2–15 ng mL−1 linear range values were achieved for Zn(II) and Hg(II), respectively. Relative standard deviation values were found to be lower than 5%. For validation of the procedure, the certified standard reference materials (CWW-TM-D, EU-L-2, NCS ZC73O14, NCS ZC73350) were analyzed. The concentrations of Zn(II) and Hg(II) in water and food samples were measured by ICP-OES. Consequently, it can be inferred that the immobilized B. licheniformis microcolumn has ideal selectivity for Zn(II) and Hg(II) biosorption. Graphical abstract: [Figure not available: see fulltext.].

The genus Hypericum has been utilized in traditional medicine in several parts of the world since ancient times. The utmost activities have been associated with the natural pharmaceuticals prepared from Hypericum species due to their unique chemical profile. In the present study, Hypericum olympicum L. extracts before and after being processing in an in vitro simulated digestion system were submitted to in vitro anti-diabetic assays, i.e., α-glucosidase and α-amylase inhibition assays and antiglycation assay. The formation of advanced glycation end products (AGEs) is one of the most precursor molecules for the complications of diabetes mellitus. In oxidative stress conditions, reactive oxygen species (ROS) and AGEs production increase significantly inside the cells. Furthermore, mechanistically different antioxidant assays, including free radical scavenging and metal-reducing activities, and the total antioxidant capacity assay were conducted. Major flavonoid glycosides (rutin, hyperoside and isoquercitrin) and the main phenolic acid (chlorogenic acid) in the extracts and their bioaccessibilities were also determined by high performance thin layer chromatography (HPTLC). The results indicated that amounts of all phenolic compounds analyzed in this study increased throughout in vitro simulated gastric system in comparison with non-digested fraction. Moreover, the results demonstrated that anti-diabetic activity and antioxidant capacity of the extract increased remarkably following the simulation process.

Objective: The aim of this study is to compare Matricaria chamomilla samples collected from nature and supplied from pharmacies and herbalists by performing quality control analyses and investigate the antimicrobial activities of them. Methods: These samples were examined according to Matricariae flos monograph analysis in European Pharmacopoeia. Macroscopic and microscopic examination, loss on drying and total ash experiment were performed. Essential oil was obtained from the drugs and analyzed by thin layer chromatography. Additionally, aqueous and ethanolic extracts of all samples were compared by thin layer chromatography. Antimicrobial activity was determined by microdilution method in aqueous and ethanolic extracts. Results: According to the pharmacopoeia analysis; in macroscopic and microscopic examinations, all samples except 2 herbalist samples were found to suitable for the pharmacopoeia standards. In loss on drying, none of the samples were found to suitable for the standards except 2 herbalist samples. In total ash, all samples were suitable for the standards. While the essential oil of M. chamomilla samples collected from nature was yellow-orange colored, we obtained the blue essential oil containing chamazulene from pharmacy samples and 3 of herbalist samples. The highest activity in antimicrobial activity assay was observed in ethanol extracts against Staphylococcus aureus, Staphylococcus epidermidis and Candida tropicalis strains. Conclusion: Examples of true M. chamomilla were found among herbalist samples, contrary to the previous studies. Pharmacy samples were qualified but limited in terms of variety. Essential oil analyses pointed out the importance of geographical location among natural samples. Antimicrobial activity tests did not provide significant results.

The spatial distribution of proteins in cell membranes is crucial for signal transduction, cell communication and membrane trafficking. Members of the Tetraspanin family organize functional protein clusters within the plasma membrane into so-called Tetraspanin-enriched microdomains (TEMs). Direct interactions between Tetraspanins are believed to be important for this organization. However, studies thus far have utilized mainly co-immunoprecipitation methods that cannot distinguish between direct and indirect, through common partners, interactions. Here we study Tetraspanin 8 homointeractions in living cells via quantitative fluorescence microscopy. We demonstrate that Tetraspanin 8 exists in a monomer-dimer equilibrium in the plasma membrane. Tetraspanin 8 dimerization is described by a high dissociation constant (Kd = 14 700 ± 1100 Tspan8/µm2), one of the highest dissociation constants measured for membrane proteins in live cells. We propose that this high dissociation constant, and thus the short lifetime of the Tetraspanin 8 dimer, is critical for Tetraspanin 8 functioning as a master regulator of cell signaling.

In this study, quinoxaline-linked bis(benzimidazolium) salts were synthesized as bis-N-heterocyclic carbene (NHC) precursors. These bis(NHC) precursors were used as multidentate ligands for the construction of bi(hetero)aryls by palladium-catalyzed direct C-H activation process. The in situ prepared palladium complexes by mixtures of the Pd(OAc)2 and the bis(NHC) precursors were used as the catalyst for direct C-H activation of heteroarenes. These catalytic system exhibited a modest catalytic activity in the direct C-H activation of five-membered heteroarenes with a wide range of (hetero)aryl bromides.

Aimed to investigate in an animal model the efficacy of humic acid by showing its antioxidant and anti-apoptotic effect comparing with the histopathological and neurological outcomes for the hypoxic-ischemic brain injury.28 Wistar-Albino rats who were on the 7th postnatal day and weighting between 9 and 19 g randomly divided into four groups with developed HIE model under the gas anesthesia. 20 mg/kg and 10 mg/kg intraperitoneal HA were given to Group I and II respectively. Saline was given to Group III and the sham group was Group IV. The brain tissues were stained with cresyl-violet histochemistry for grading neuronal cell injury and caspase immunohistochemistry.The neuronal cell injury was statistically lower in all neuroanatomical lands in HA treatment groups. The degree of ischemia was significantly smaller in HA groups. Caspase-3 immunoreactivity was decreased in the HA groups compared with the saline group. When the groups were compared, there were no serious neuronal injury in Group I.This is the first study which investigates the role of HA in HIE model. HA reduces apoptosis and neuronal injury in cerebral tissue of the rats. This findings suggest that HA may be viable protective agent against HIE.

Thiosemicarbazonesrepresent an important class of ligandsfortargeted therapyof many types of cancer including non-small celllung cancer. In order to identify potential antitumoragentsfor targeted therapy oflung cancer, new bis(thiosemicarbazone) derivatives (1-11) were preparedviathe reaction of 1,4-phenylenebis(thiosemicarbazide) with 5-arylfurfurals. The cytotoxic effects of compounds 1-11on A549human lung adenocarcinoma and L929 mouse fibroblast cellswere investigated using MTT test. Compounds 1, 10and 11were the most potentanticancer agents in this series on A549 cell line with IC50values of 14.33±0.47 μg/mL, 11.67±2.49 μg/mL and16.67±5.56 μg/mL, respectivelycompared to cisplatin (IC50= 18.33±0.94μg/mL). Based on theirIC50values for L929 cell line, their anticancer activitieswere found to be selective.Moreover,flow cytometry-based analyseswere performed to examine their effects on apoptosis and mitochondrial membrane potential.The treatment of A549 cells with compounds 1, 10and 11 at IC50 concentrationsled to the induction of apoptosis along with mitochondrial membrane depolarization. In order to explore theirmodeof action,compounds 1, 10 and 11were evaluated for their inhibitory effects onCOX-1 and COX-2 in A549 cells. In particular, N,N'-(1,4-phenylene)bis(2-((5-(2,5-dichlorophenyl)furan-2-yl)methylene)hydrazine-1-carbothioamide) (10) was identified as a selectiveCOX-2 inhibitor(6.96% for COX-1 and 54.81% for COX-2). According to these results, compound10warrants further in vitroand in vivostudies as a potential targeted anticancer agentfor the management of non-small celllung cancer.

Thiol/disulphide homeostasis is important in cancer. Studies are carried out to be biomarkers in cancer patients. The aim of this study is to investigate the relationship between oxidative stress biomarker [thiol-disulphide homeostasis] and CEA [carcinoembryonic antigen], IMA [ischemic modified albumin], albumin, CA 15-3 (cancer antigen 15-3) in patients with breast cancer and compare it with healthy controls, which is conducted for the first time in the literature.A total of 80 participants including 39 patients with breast cancer and 41 healthy individuals were included in the study. CEA, CA15-3, native thiol, total thiol, and disulphide as well as disulphide/native thiol and disulphide/total thiol ratios were compared between the groups. Native thiol[-SH], disulfide [-S-S] and total thiol [TT] concentrations were measured with a novel automated method. Patients participated in the study under chemotherapy. The study is a prospective study. In breast cancer group, IMA, albümin and CA-15-3 were obtained sitatiscally significant difference compared to the controlegroup (p

In this study, the interactions of coumarin derivatives with the spike protein of the coronavirus Omicron variant were investigated with the help of Molecular Docking studies. When the substrate effects of the compounds against the SARS-CoV-2 Omicron variant Spike protein are examined in silico, it has been determined that the compounds exhibit moderate antagonistic effect. There are some interactions such as hydrogen bonding, carbon-hydrogen bonding, π-π stacking, π-anion, π cation, π-alkyl and alkyl interactions between coumarin derivatives and against Omicron variant’s spike protein of Sars-CoV-2.

Non-small cell lung cancer (NSCLC) is the leading cause of cancer-related death throughout the world. Due to the shortcomings of traditional chemotherapy, targeted therapies have come into prominence for the management of NSCLC. In particular, epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor (TKI) therapy has emerged as a first-line therapy for NSCLC patients with EGFR-activating mutations. In this context, new indenopyrazoles, which were prepared by an efficient microwave-assisted method, were subjected to in silico and in vitro assays to evaluate their potency as EGFR TK-targeted anti-NSCLC agents. Compound 4 was the most promising antitumor agent towards A549 human lung adenocarcinoma cells, with an IC50 value of 6.13 µM compared to erlotinib (IC50 = 19.67 µM). Based on its low cytotoxicity to peripheral blood mononuclear cells (PBMCs), it can be concluded that compound 4 exerts selective antitumor action. This compound also inhibited EGFR TK with an IC50 value of 17.58 µM compared to erlotinib (IC50 = 0.04 µM) and induced apoptosis (56.30%). Taking into account in silico and in vitro data, compound 4 stands out as a potential EGFR TKI for the treatment of NSCLC., Anadolu University Scientific Research Projects Commission; Scientific and Technological Research Council of Turkey (TÜBİTAK)

© 2022In this study, peripheral and non-peripherally substituted Zn(II) phthalocyanine complexes were synthesized from 7‑hydroxy-3-(p-tolyl)coumarin and 7‑hydroxy-3-(p-tosyl)coumarin compounds. The synthesized new compounds were characterized using elemental analysis, FT-IR, UV–Vis, Fluorescence 1HNMR spectroscopy and MALDI-TOF mass spectrometry. All the synthesized phthalocyanine complexes showed good solubility in organic solvents such as acetone, dichloromethane, chloroform, pyridine, and ethyl acetate. Fluorescent quenching behavior was investigated using 1,4-benzoquinone and potassium iodide as a quencher. The photophysical (fluorescent quantum yields and lifetimes) and photochemical (single oxygen and photodegradation quantum yields) properties of these new phthalocyanines were examined in dimethyl sulfoxide. Phthalocyanine complexes containing 7‑hydroxy-3-(p-tolyl)coumarin had higher singlet oxygen quantum yields than phthalocyanine complexes containing 7‑hydroxy-3-(p-tosyl)coumarin. Phthalocyanines to which coumarins are peripherally bound were more advantageous than their non-peripherally bound derivatives. As a result of their photophysical and photochemical properties, coumarin-phthalocyanine complexes containing tolyl-/tosyl- groups can be used as photosensitizing candidates in photodynamic therapy and can be developed with targeted modifications.

Ozdemir, Namik/0000-0003-3371-9874; AKKOC, Mitat/0000-0001-8641-8958; yasar, sedat/0000-0001-7285-2761; Ozdemir, Ismail/0000-0001-6325-0216 WOS: 000501598500009 The synthesis of 3 benzimidazole-based ionic Pd(II)-NHC complexes (NHC: N-heterocyclic carbene) is presented. The structures of the complexes are as follows: [NHC-PdBr3](-) [NHC](+). The ionic palladium(II)-NHC complexes were synthesized in high yields and were fully characterized by nuclear magnetic resonance spectroscopy, X-ray diffraction, LC-MS/MS, and elemental analysis. These complexes have been identified as active catalysts in Suzuki-Miyaura reactions in a solution of 2-propanol and water at room temperature for different aryl bromides. Ondokuz Mayis UniversityOndokuz Mayis University [PYO.FEN.1906.19.001] This study was supported by Ondokuz Mayis University (Project No: PYO.FEN.1906.19.001).

In this work, N-(4-(N-acetylsulfamoyl)phenyl)-2-benzoyl-3-oxo-3-phenylpropanamide (HL) was synthesized by treating the appropriate dibenzoylaceticacid-N-carboxyethylamide with N-(4-aminophenyl)sulfonylacetamide and also characterized by using various analytical and spectroscopic techniques. Further, six metal complexes were synthesized from Zn(II), Ni(II), Mn(II), Cu(II), Co(II), and Pd(II) acetate and ligand in 1:2 ratio respectively. While Cu(II) and Pd(II) complexes exhibited square planar geometry, the others displayed octahedral geometry. Newly synthesized compounds were performed for antioxidant, DNA cleavage and antimicrobial activities. Tested compounds exhibited great potential antioxidant activity, especially Zn and Pd complexes. DNA cleavage results indicated that DNA could cleave with compounds through interaction. These compounds were investigated for their antimicrobial activity against seven microorganism species and showed moderate antimicrobial activity.

In this paper, the dissolution kinetics of cement copper powder in sulfuric acid solutions containing cupric ions was examined. It was observed that the dissolution rate of copper increased with increasing the acid concentration, temperature, and stirring speed. It was determined that the dissolution rate of copper enhanced with increasing the cupric ion concentration up to 0.025 M. It was found that the temperature and concentration of cupric ion had more considerable effects on the dissolution of copper powder. The kinetic analysis of the process was performed, and it was observed that it fits the first order pseudo-homogenous reaction model. The activation energy was calculated to be 31.1 kJ/mol.

In this study, high fat diet was fed to rats and the amount of vemurafenib in rat plasma was determined by the developed liquid chromatography with tandem mass spectrometry. The calibration curve was linear between 0.01 and 0.8 µg mL−1 vemurafenib with 0.999 regression coefficient. The limit of detection and quantification of the method are estimated from the signal to noise ratio 3:1 and 10:1, respectively. These are 1.10-4 µg mL−1 for LOD and 4. 10-4 µg mL−1 for LOQ. This method has been found to be reproducible and highly sensitive and provides a combination of faster analysis time and improved limits of detection.

Flaxseed oil is a valuable source of omega-3 acids and bioactive compounds but it is highly sensitive to oxidation due to the high concentration of unsaturated fatty acids. This study aimed to improve stability of flaxseed oil by using spirulina and black elderberry extracts as natural antioxidants. The influence of different percentages of these extracts (0.10, 0.25, 0.50, 0.75%), a synthetic antioxidant BHT (0.02%), and gallic acid (0.02%) was investigated. The oxidation process was followed by measuring the stability parameters of oil (peroxide and anisidine value) and quality (total phenolic content, total antioxidant activity, tocopherol composition) during storage for 35 days at 40 °C, 75% RH. Peroxide value was determined as much less than other samples, in 0.10% spirulina and black elderberry extract added samples during storage. Natural extracts did not have negative impact on γ-Tocopherol content while BHT and gallic acid had. The results in this study confirmed that, black elderberry and spirulina extracts had shown better oxidative stability of flaxseed oil than BHT and gallic acid. Therefore, these extracts may have great potential as natural antioxidants for edible oils.

A novel Pd-NHC functionalized magnetic Fe3O4@SBA-15@NHC-Pd was synthesized and used as an efficient heterogeneous catalyst in the Suzuki–Miyaura C–C bond formation reactions. The Fe3O4@SBA-15@NHC-Pd characterized by X-Ray Diffraction (XRD), X-ray Photoelectron Spectroscopy (XPS), Fourier Transform Infrared (FTIR) spectroscopy, Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), Energy Dispersive X-ray analysis (EDX), Thermogravimetric Analysis (TGA), Differential Thermal Analysis (DTA). The Inductively Coupled Plasma-Optical emission spectroscopy (ICP-OES) analysis was used to determine the exact amount of Pd (0.33 wt%) in Fe3O4@SBA-15@NHC-Pd. The TEM images of the catalyst showed the existence of palladium nanoparticles immobilized in the catalyst's structure, while no reducing agent was used. The NHC moieties in the catalyst structure could be stabilize Pd(0) nanoparticles prevents agglomeration. The magnetic catalyst was effectively used in the Suzuki–Miyaura cross-coupling reaction of substituted phenylboronic acid derivatives with (hetero)aryl bromides in the presence of a K2CO3 at room temperature in aqueous media and magnetic catalyst could be simply extracted from the reaction mixture by an external magnet. Different aryl bromides were converted to coupled-products in excellent yields with spectacular TOFs values (up to 1,960,339 h−1); in the presence of 1 mg of Fe3O4@SBA-15@NHC-Pd catalyst (contains 3.1 × 10–6 mol% Pd) at room temperature in aqueous media. After reusability experiments, it is found that this catalyst was effectively used up to ten times in the reaction with almost consistent catalytic efficiency. A decrease in the activity of the 10th reused catalyst was found as 9%.

This study focused on the potential use of hazelnut husk (HH) flour, agricultural by-product, as filler in the PLA biocomposite films. The tensile strength and elongation at break of the biocomposi...

This study investigates the effect of using a multifunctional epoxide chain extender (Joncryl® ADR 4468) on the thermal stabilization and rheological properties of recycled polyethylene terephthalate (R-PET) and its blends with polybutylene terephthalate (PBT). The R-PET samples were prepared without and with chain extender (CE) contents of 0.4 wt% and 0.8 wt%. R-PET/PBT blends with weight ratios of 75w/25w, 50w/50w and 25w/75w were also prepared without and with a given CE content of 0.2 wt%. The thermal stability of the melt blended samples was analyzed through small amplitude oscillatory shear (SAOS) rheological experiments. The structure of the samples was evaluated using a Fourier transform infrared (FTIR) spectrometer. While the dynamic rheological properties of R-PET were improved with the addition of Joncryl and by blending with PBT, during the SAOS rheological experiments, the complex viscosity of R-PET further increased due to the concurrent polycondensation of R-PET and the resumption of Joncryl reaction with R-PET molecules. These reactions during the rheological experiments were further expedited with increasing the testing temperature. On the other hand, in R-PET/PBT blends, the reactivity of Joncryl was more noticeable in blends with higher R-PET contents due to the higher available internal reactive sites of much shorter R-PET molecules. It was observed that the addition of only 0.2 wt% Joncryl to the blends of R-PET/PBT (75w/25w) dramatically improves the thermal stability and dynamic rheological properties of R-PET and most likely its processability.

The steady increase in the employment of silver nanoparticles (AgNPs) in consumer products entails the determination of the aquatic toxicity of AgNPs. Various AgNP characteristics including particle size, and shape, surface charge, and material have prominent effects on ecotoxicity. In the present study, we investigated the aquatic toxicity of chemically-synthesized AgNPs (Che-AgNPs) and green synthesis AgNPs (Gr-AgNPs) to Daphnia magna as a model organism. In each case, Che-AgNPs and Gr-AgNPs showed dose-dependent toxicity in the range of 5-50 ppb. It was also detected that the size and surface coverage material of AgNPs has a significant impact on the survival rate of D. magna. We also analyzed the expression of some genes related to detoxification and the reproductive system. These observations presented that in both NP types the significant alterations were detected in genes of the model organism in a dose-dependent manner.

Structurally complex and diverse polyamines and polyamine analogues are potential therapeutics and agrochemicals that can address grand societal challenges, for example, healthy ageing and sustainable food production. However, their structural complexity and low abundance in nature hampers either bulk chemical synthesis or extraction from natural resources. Here we reprogrammed the metabolism of baker’s yeast Saccharomyces cerevisiae and recruited nature’s diverse reservoir of biochemical tools to enable a complete biosynthesis of multiple polyamines and polyamine analogues. Specifically, we adopted a systematic engineering strategy to enable gram-per-litre-scale titres of spermidine, a central metabolite in polyamine metabolism. To demonstrate the potential of our polyamine platform, various polyamine synthases and ATP-dependent amide-bond-forming systems were introduced for the biosynthesis of natural and unnatural polyamine analogues. The yeast platform serves as a resource to accelerate the discovery and production of polyamines and polyamine analogues, and thereby unlocks this chemical space for further pharmacological and insecticidal studies. Structurally complex polyamines and polyamine analogues show potential as therapeutics and agrochemicals, but their production remains hampered. Here a polyamine yeast cell factory is developed that enables the gram-per-litre-scale titres of spermidine and the complete biosynthesis of a broad set of these compounds.

Poly(lactic acid) (PLA) has been widely used in the food industry and medical applications due to its excellent biocompatibility and biodegradability. It is very important that the materials used in both sectors should have antimicrobial properties. In this work, we aim to prepare antimicrobial PLA-based biocomposites which may be used as wound dressing materials. Firstly, the new silver(I)-diclofenac (dicl) complex with (2-methylimidazole) (mim) (namely [Ag(mim)2](dicl)) was synthesized and characterized by elemental analysis, FT-IR spectroscopy, thermal analysis and single crystal X-ray diffraction. Secondly, PLA-based biocomposite fibers with varied amounts (3 wt% and 5 wt%) of [Ag(mim)2](dicl) complex were prepared by using the electrospinning method. The morphology of samples was analyzed by using scanning electron microscopy (SEM). Also, in vitro antibacterial activities of produced PLA-based nanofibers were investigated against different microorganisms (Bacillus cereus, Escherichia coli and Candida albicans) by using disc diffusion technique. The results showed that [Ag(mim)2](dicl) additive nanofibers exhibit highest antimicrobial activity. Based on experimental results, we suggest that these composite nanofibers can be used especially against Candida albicans in wound dressing applications. Furthermore, the combination of silver(I), dicl and mim in a single product ([Ag(mim)2](dicl)) could accelerate the healing process by providing antibacterial, antifungal and anti-inflammatory protection on the wounded skin.